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CHEBI:6211 - L-djenkolic acid

ChEBI IDCHEBI:6211
ChEBI NameL-djenkolic acid
Stars
ASCII NameL-djenkolic acid
DefinitionA dithioacetal consisting of two molecules of L-cysteine joined via their sulfanyl groups to methylene.
Last Modified20 November 2014
DownloadsMolfile
FormulaC7H14N2O4S2
Net Charge0
Average Mass254.333
Monoisotopic Mass254.03950
SMILESN[C@@H](CSCSC[C@H](N)C(=O)O)C(=O)O
InChIInChI=1S/C7H14N2O4S2/c8-4(6(10)11)1-14-3-15-2-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1
InChIKeyJMQMNWIBUCGUDO-WHFBIAKZSA-N
Wikipedia
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
toxin  Poisonous substance produced by a biological organism such as a microbe, animal or plant.
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
L-djenkolic acid (CHEBI:6211) has role plant metabolite (CHEBI:76924)
L-djenkolic acid (CHEBI:6211) has role toxin (CHEBI:27026)
L-djenkolic acid (CHEBI:6211) is a L-cysteine derivative (CHEBI:83824)
L-djenkolic acid (CHEBI:6211) is a dithioacetal (CHEBI:59794)
L-djenkolic acid (CHEBI:6211) is a non-proteinogenic L-α-amino acid (CHEBI:83822)
IUPAC Name 
(2R,2'R)-3,3'-(methylenedisulfanediyl)bis(2-aminopropanoic acid)
Synonyms  Source
Djenkolic acidKEGG COMPOUND
3,3'-(Methylenedithio)dialanineChemIDplus
beta,beta'-MethylenedithiodialanineChemIDplus
3,3'-Methylenedithiobis(2-aminopropanoic acid)ChemIDplus
L-Cysteine thioacetal of formaldehydeChemIDplus
S,S'-methylene-bis-L-cysteineChEBI
Manual XrefsDatabases
C08275KEGG COMPOUND
C00001356KNApSAcK
Djenkolic_acidWikipedia
Registry NumbersSources
Reaxys:1713584Reaxys
CAS:498-59-9KEGG COMPOUND
CAS:498-59-9ChemIDplus
Citations